M090-0115 Screening compound: 1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1,2,3,6-tetrahydropyridine

M090-0115 Screening compound: 1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1,2,3,6-tetrahydropyridine
M090-0115 Screening compound: 1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound M090-0115
1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1,2,3,6-tetrahydropyridine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M090-0115

Molecular Formula

C21H19F3N2O3S2 (C21 H19 F3 N2 O3 S2)

Compound Name

1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1,2,3,6-tetrahydropyridine

IUPAC name

1-({25-dimethyl-4-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1236-tetrahydropyridine

SMILES

Cc1c(-c2noc(C(F)(F)F)c2)c(S(N(CC2)CC=C2c2ccccc2)(=O)=O)c(C)s1

InChI

InChI=1S/C21H19F3N2O3S2/c1-13-19(17-12-18(29-25-17)21(22,23)24)20(14(2)30-13)31(27,28)26-10-8-16(9-11-26)15-6-4-3-5-7-15/h3-8,12H,9-11H2,1-2H3

InChI Key

MJSCOMLFEUOIKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.568

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-5.63

Polar Surface Area

54.231

Acid Dissociation Constant (pKa)

28.15

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M090-0115 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with M090-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M090-0115?
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What is the minimum amount of M090-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M090-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M090-0115
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M090-0115 available by request